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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate - ≥95%(HPLC)(N) , CAS No.1352947-63-7
Synonyms
SCHEMBL16968738 | MFCD23380210 | 1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate | M2321 | T71733 | 1352947-63-7 | 1-Methyl-3-[6-(methylthio)hexyl]imidazoliump-Toluenesulfonate | 3-Methyl-1-[6-(methylsulfanyl)hexyl]-1H-imidazol-3-ium 4-meth
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Why this grade ≥95%(HPLC)(N) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
SCHEMBL16968738 | MFCD23380210 | 1-Methyl-3-[6-(methylthio)hexyl]imidazolium p-Toluenesulfonate | M2321 | T71733 | 1352947-63-7 | 1-Methyl-3-[6-(methylthio)hexyl]imidazoliump-Toluenesulfonate | 3-Methyl-1-[6-(methylsulfanyl)hexyl]-1H-imidazol-3-ium 4-meth
Specifications & Purity
≥95%(HPLC)(N)
Names and Identifiers Canonical Smiles CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC IUPAC Name 4-methylbenzenesulfonate;1-methyl-3-(6-methylsulfanylhexyl)imidazol-1-ium InChIKey OVUBPNDERNKKQU-UHFFFAOYSA-M INCHI 1S/C11H21N2S.C7H8O3S/c1-12-8-9-13(11-12)7-5-3-4-6-10-14-2;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,11H,3-7,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1 Isomeric SMILES CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CN(C=C1)CCCCCCSC Molecular Weight 384.55 Reaxy-Rn 22038359 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22038359&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Benzenesulfonic acids and derivatives Intermediate Tree Nodes Not available Direct Parent p-Methylbenzenesulfonates Alternative Parents Tosyl compounds Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds N-substituted imidazoles Sulfonyls Organosulfonic acids Heteroaromatic compounds Sulfenyl compounds Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic cations Molecular Framework Not available Substituents P-methylbenzenesulfonate - Tosyl compound - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Toluene - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Sulfenyl compound - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Slightly soluble in water Sensitivity Hygroscopic Molecular Weight 384.600 g/mol XLogP3 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 384.154 Da Monoisotopic Mass 384.154 Da Topological Polar Surface Area 99.700 Ų Heavy Atom Count 25 Formal Charge 0 Complexity 334.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 2
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